2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol

C13H11N3OS — CID 24803728

IUPAC2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol
SMILESCNc1ccc(-c2nc3cc(O)ccc3s2)cn1
InChIInChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-6-9(17)3-4-11(10)18-13/h2-7,17H,1H3,(H,14,15)
InChIKeySZFQVPAPOMZYNT-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.11
Rot. Bonds2

About 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol

2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol (PubChem CID 24803728) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol
PubChem CID24803728
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol
SMILESCNc1ccc(-c2nc3cc(O)ccc3s2)cn1
InChIInChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-6-9(17)3-4-11(10)18-13/h2-7,17H,1H3,(H,14,15)
InChIKeySZFQVPAPOMZYNT-UHFFFAOYSA-N
XLogP3.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino)-Phenol
CID 447959
Azd-2184
CID 16663275
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenol
CID 972804
4-[2-(Pyridin-2-ylamino)-1,3-thiazol-4-yl]phenol
CID 972900
3-(6-Methyl-thieno[2,3-d]pyrimidin-4-ylamino)-phenol
CID 16370445
2-(4-(Methylamino)phenyl)benzo[d]thiazol-5-ol
CID 42603729
3-(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-ylamino)-phenol
CID 11289869
2-[2-(Methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 24804068
6-Benzothiazolol, 2-(6-(methyl-11c-amino)-3-pyridinyl
CID 24804396
2-[6-[Bis(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol
CID 54579969
2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
CID 70681870
4-[2-(3-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenol
CID 973160

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol?
The IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol (CID 24803728) is 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol.
What is the SMILES notation for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol?
The canonical SMILES for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol is CNc1ccc(-c2nc3cc(O)ccc3s2)cn1.
What is the InChIKey of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol?
The InChIKey is SZFQVPAPOMZYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-6-9(17)3-4-11(10)18-13/h2-7,17H,1H3,(H,14,15).
What are the key properties of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol?
2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol has a molecular weight of 257.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol is sourced from PubChem (CID 24803728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).